3-ethenyl-1-(114C)ethylpyrrole-2,5-diol

C8H11NO2 — CID 90781057

IUPAC3-ethenyl-1-(114C)ethylpyrrole-2,5-diol
SMILESC=Cc1cc(O)n([14CH2]C)c1O
InChIInChI=1S/C8H11NO2/c1-3-6-5-7(10)9(4-2)8(6)11/h3,5,10-11H,1,4H2,2H3/i4+2
InChIKeyDRNDJCATVFFHCG-DOMIDYPGSA-N
MW155.17 g/mol
LogP1.56
Rot. Bonds2

About 3-ethenyl-1-(114C)ethylpyrrole-2,5-diol

3-ethenyl-1-(114C)ethylpyrrole-2,5-diol (PubChem CID 90781057) has the molecular formula C8H11NO2 and a molecular weight of 155.17 g/mol. Its IUPAC name is 3-ethenyl-1-(114C)ethylpyrrole-2,5-diol.

Molecular Properties

Compound Name3-ethenyl-1-(114C)ethylpyrrole-2,5-diol
PubChem CID90781057
Molecular FormulaC8H11NO2
Molecular Weight155.17 g/mol
Exact Mass155.08
IUPAC Name3-ethenyl-1-(114C)ethylpyrrole-2,5-diol
SMILESC=Cc1cc(O)n([14CH2]C)c1O
InChIInChI=1S/C8H11NO2/c1-3-6-5-7(10)9(4-2)8(6)11/h3,5,10-11H,1,4H2,2H3/i4+2
InChIKeyDRNDJCATVFFHCG-DOMIDYPGSA-N
XLogP1.56
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.17
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-1H-pyrrol-2-ol
CID 13795008
1-Methylpyrrole-2,5-diol
CID 21326740
3-ethenyl-1H-pyrrole-2,5-diol
CID 53930526
1-(Hydroxymethyl)pyrrole-2,5-diol
CID 54060161
1-Ethylpyrrole-2,5-diol
CID 54068298
S-acetyl 2-(2,5-dihydroxypyrrol-1-yl)ethanethioate
CID 54217813
2,5-Dihydroxypyrrole-1-carbaldehyde
CID 54249812
1-Pentylpyrrole-2,5-diol
CID 54382624
3-Ethenyl-1-ethylpyrrole-2,5-diol
CID 91470205
1-Methyl-4-(trifluoromethyl)pyrrol-2-ol
CID 11321153
1-(3,4,4-Trifluorobut-3-enyl)pyrrole-2,5-diol
CID 53856482
1-(2,2,2-Trifluoroethyl)pyrrole-2,5-diol
CID 91241711

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-1-(114C)ethylpyrrole-2,5-diol?
The IUPAC name of 3-ethenyl-1-(114C)ethylpyrrole-2,5-diol (CID 90781057) is 3-ethenyl-1-(114C)ethylpyrrole-2,5-diol.
What is the SMILES notation for 3-ethenyl-1-(114C)ethylpyrrole-2,5-diol?
The canonical SMILES for 3-ethenyl-1-(114C)ethylpyrrole-2,5-diol is C=Cc1cc(O)n([14CH2]C)c1O.
What is the InChIKey of 3-ethenyl-1-(114C)ethylpyrrole-2,5-diol?
The InChIKey is DRNDJCATVFFHCG-DOMIDYPGSA-N. The full InChI is InChI=1S/C8H11NO2/c1-3-6-5-7(10)9(4-2)8(6)11/h3,5,10-11H,1,4H2,2H3/i4+2.
What are the key properties of 3-ethenyl-1-(114C)ethylpyrrole-2,5-diol?
3-ethenyl-1-(114C)ethylpyrrole-2,5-diol has a molecular weight of 155.17 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-1-(114C)ethylpyrrole-2,5-diol is sourced from PubChem (CID 90781057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).